Pentanamide, 2-(dimethylamino)-3-methyl-N-[7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-, [3R-[3R*,4S*(2S*,3R*),7S*]]-

SpectraBase Compound ID	HmuI97u88Ts
InChI	InChI=1S/C31H42N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(23-11-9-8-10-12-23)39-24-15-13-22(14-16-24)17-18-32-29(36)25(19-20(2)3)33-30(26)37/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b18-17-
InChIKey	KGRSGRNSVOPQEA-ZCXUNETKSA-N Google Search
Mol Weight	534.7 g/mol
Molecular Formula	C31H42N4O4
Exact Mass	534.320606 g/mol

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SpectraBase Spectrum ID	L4CNIw4zDln
Name	Pentanamide, 2-(dimethylamino)-3-methyl-N-[7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-, [3R-[3R,4S(2S,3R),7S*]]-
CAS Registry Number	18067-39-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H42N4O4
InChI	InChI=1S/C31H42N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(23-11-9-8-10-12-23)39-24-15-13-22(14-16-24)17-18-32-29(36)25(19-20(2)3)33-30(26)37/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b18-17-
InChIKey	KGRSGRNSVOPQEA-ZCXUNETKSA-N
Molecular Weight	534.701 g/mol
SMILES	N1C(C(N\C=C/c2ccc(OC(C(C1=O)NC(C(N(C)C)C(CC)C)=O)c1ccccc1)cc2)=O)CC(C)C
SPLASH	splash10-03di-2900000000-9612d3b85fb8bd08b509
Source of Spectrum	CD-245-0-0
Synonyms	2-(Dimethylamino)-N-[7-isobutyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide Inegerrenine Integerrenine Pentanamide, 2-(dimethylamino)-3-methyl-N-[7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-, [3R-[3r@,4s@(2s@,3r@),7s@]]- NSC 182854
Wiley ID	1403854